cyclopropyl-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)-2-purinyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[9-(4-nitrobenzyl)-6-(phenethylamino)purin-2-yl]piperazino]methanone Formula: C28H30N8O3 MolecularWeight: 526.5896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H30N8O3/c37-27(22-8-9-22)33-14-16-34(17-15-33)28-31-25(29-13-12-20-4-2-1-3-5-20)24-26(32-28)35(19-30-24)18-21-6-10-23(11-7-21)36(38)39/h1-7,10-11,19,22H,8-9,12-18H2,(H,29,31,32)